3-[(3-azanylpyridin-1-ium-4-yl)-(pyridin-3-ylmethyl)amino]propanenitrile

Systemtic Name: 3-[(3-azanylpyridin-1-ium-4-yl)-(pyridin-3-ylmethyl)amino]propanenitrile Openeye Name: 3-[(3-aminopyridin-1-ium-4-yl)-(3-pyridylmethyl)amino]propanenitrile CAS Name: 3-[(3-amino-4-pyridin-1-iumyl)-(3-pyridinylmethyl)amino]propanenitrile IUPAC Name: 3-[(3-aminopyridin-1-ium-4-yl)-(pyridin-3-ylmethyl)amino]propanenitrile Traditional Name: 3-[(3-aminopyridin-1-ium-4-yl)-(3-pyridylmethyl)amino]propionitrile Formula: C14H16N5+ MolecularWeight: 254.31034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CN(CCC#N)C2=C(C=[NH+]C=C2)N

Isomeric SMILES

C1=CC(=CN=C1)CN(CCC#N)C2=C(C=[NH+]C=C2)N

InChI

InChI=1S/C14H15N5/c15-5-2-8-19(11-12-3-1-6-17-9-12)14-4-7-18-10-13(14)16/h1,3-4,6-7,9-10H,2,8,11,16H2/p+1